2QZZ

Structure of Eugenol Synthase from Ocimum basilicum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	54.033, 85.387, 76.876
Unit cell angles	90.00, 107.51, 90.00

Refinement procedure

Resolution	34.120 - 1.600
Rwork	0.259
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qw8
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	34.139	34.140	1.580
High resolution limit [Å]	1.500	4.740	1.500
Rmerge	0.133	0.100	0.681
Total number of observations		16212	34246
Number of reflections	104313
<I/σ(I)>	3.4	5.2	1
Completeness [%]	97.9	99.2	95.1
Redundancy	4.2	4.7	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	0.1 M sodium succinate, 21% PEG 3350, 0.3 M KCl, 2 mM dithiothreitol, 5 mM NADP+, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K